J/A+A/624/A70ivo://CDS.VizieR/J/A+A/624/A70doi:10.26093/cds/vizier.36240070CDSCoudert L.Margules L.Vastel C.Motiyenko R.Caux E.Guillemin J.-C.2019-05-06T15:19:12Z2019-04-12T07:51:18ZCDS support team

CDS, Observatoire de Strasbourg, 11 rue de l'Universite, F-67000 Strasbourg, France

cds-question@unistra.fratomic-physicsradio-astronomyDetection of deuterated species may provide information on the evolving chemistry in the earliest phases of star-forming regions. For molecules with two isomeric forms of the same isotopic variant, gas-phase and solid-state formation pathways can be differentiated using their abundance ratio. Spectroscopic databases for astrophysical purposes are built for the two mono deuterated isomeric species CH_2_DCOH and CH_3_COD of the complex organic molecule acetaldehyde. These databases can be used to search and detect these two species in astrophysical surveys, retrieving their column density and therefore abundances. Submillimeter wave and terahertz transitions were measured for mono deuterated acetaldehyde CH2DCOH which is a non-rigid species displaying internal rotation of its asymmetrical CH_2_D methyl group. An analysis of a dataset consisting of previously measured microwave data and the newly measured transition was carried out with a model accounting for the large amplitude torsion. The frequencies of 2556 transitions are reproduced with a unitless standard deviation of 2.3 yielding various spectroscopic constants. Spectroscopic databases for astrophysical purposes were built for CH_2_DCOH using the results of the present analysis and for CH_3_COD using the results of a previous spectroscopic investigation. These two species were both searched for and are detected toward a low-mass star-forming region. We report the first detection of CH2DCOH (93 transitions) and the detection of CH_3_COD (43 transitions) species in source B of the IRAS 16293-2422 young stellar binary system located in the {rho} Ophiuchus cloud region, using the publicly available ALMA Protostellar Interferometric Line Survey.2019A&A...624A..70Chttps://cdsarc.cds.unistra.fr/viz-bin/cat/J/A+A/624/A70CatalogResearchIsServedByTAP VizieR generic servicehttps://cds.unistra.fr/vizier-org/licences_vizier.htmlhttps://vizier.cds.unistra.fr/viz-bin/VizieR-2?-source=J/A+A/624/A70https://vizier.iucaa.in/viz-bin/VizieR-2?-source=J/A+A/624/A70http://vizieridia.saao.ac.za/viz-bin/VizieR-2?-source=J/A+A/624/A70https://vizier.cds.unistra.fr/viz-bin/votable?-source=J/A+A/624/A70https://vizier.iucaa.in/viz-bin/votable?-source=J/A+A/624/A70http://vizieridia.saao.ac.za/viz-bin/votable?-source=J/A+A/624/A70GETtext/xml+votablehttps://tapvizier.cds.unistra.fr/TAPVizieR/tapRadiodefaultJ/A+A/624/A70/table4Spectroscopic constants for CH_2_DCOHrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintParamSpectroscopic parameter labelmeta.notecharValueParameter value (1)cm**-1stat.fit.paramdoubleUncParameter uncertaintycm**-1stat.errordoubleJ/A+A/624/A70/table7Linelists for CH_2_DCOHv'[0/2] Upper level vibrational quantum number (1)phys.atmol.qn;phys.mol.vibrationintrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintFreqCalculated or observed line frequencyMHzem.freq;meta.modelleddoublee_FreqFrequency UncertaintyMHzstat.errordoublelogIntBase 10 logarithm of the integrated intensity in units of nm**2 MHz at 300 Klog(nm**2.MHz)spect.line.intensitydoubleDOF[3] Number of degrees of freedom.meta.numberintElowLower state energy in cm-1cm**-1phys.energydoubleGupUpper state degeneracyphys.electron.degenintSpeciesSpecies code (G1)meta.codeintQNFMT[1404] JPL-type number describing the quantum numbers format (14004)phys.atmol.qnintJ'Upper level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa'Upper level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc'Upper level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintJ"Lower level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa"Lower level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc"Lower level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintv"[0/2] Lower level vibrational quantum number (1)phys.atmol.qn;phys.mol.vibrationintJ/A+A/624/A70/table8Linelists for CH_3_CODrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintFreqCalculated or observed line frequencyMHzem.freq;meta.modelleddoublee_FreqFrequency UncertaintyMHzstat.errordoublelogIntBase 10 logarithm of the integrated intensity in units of nm**2 MHz at 300 Klog(nm**2.MHz)spect.line.intensitydoubleDOF[3] Number of degrees of freedom.meta.numberintElowLower state energy in cm-1cm**-1phys.energydoubleGupUpper state degeneracyphys.electron.degenintSpeciesSpecies code (G1)meta.codeintQNFMT[1404] JPL-type number describing the quantum numbers format (14004)phys.atmol.qnintJ'Upper level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa'Upper level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc'Upper level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintv'[0/5] Upper level vibrational quantum number (1)phys.atmol.qn;phys.mol.vibrationintJ"Lower level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa"Lower level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc"Lower level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintv"[0/5] Lower level vibrational quantum number (1)phys.atmol.qn;phys.mol.vibrationintJ/A+A/624/A70/table3Observed minus calculated table CH_2_DCOHrecnoRecord number assigned by the VizieR team. Should Not be used for identification.meta.recordintJ'Upper level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa'Upper level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc'Upper level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintv'[+-0] Upper level vibrational quantum number label (1)phys.atmol.qn;phys.mol.vibrationcharJ"Lower level rotational quantum number Jinstr.det.qe;phys.mol.rotationintKa"Lower level rotational quantum number Kaphys.atmol.qn;phys.mol.rotationintKc"Lower level rotational quantum number Kcphys.atmol.qn;phys.mol.rotationintv"[+-0] Lower level vibrational quantum number label (1)phys.atmol.qn;phys.mol.vibrationcharFreqObserved frequencyMHzem.freqdoubleUncExperimental uncertaintykHzstat.errorintO-CObserved minus calculated frequencykHzstat.fit.residualintdouble[ d] Doublet label (2)meta.codecharRefReference from which the line was taken (3)meta.ref;pos.framechar